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Isophthalic acid, 2-formylphenyl nonyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, 2-formylphenyl nonyl ester
SpectraBase Compound ID CLPJYj6W69C
InChI InChI=1S/C24H28O5/c1-2-3-4-5-6-7-10-16-28-23(26)19-13-11-14-20(17-19)24(27)29-22-15-9-8-12-21(22)18-25/h8-9,11-15,17-18H,2-7,10,16H2,1H3
InChIKey RAKKQCUXLMYGQH-UHFFFAOYSA-N
Mol Weight 396.48 g/mol
Molecular Formula C24H28O5
Exact Mass 396.193674 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 69V4dr0DnXn
Name Isophthalic acid, 2-formylphenyl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 396.193673997 u
Formula C24H28O5
InChI InChI=1S/C24H28O5/c1-2-3-4-5-6-7-10-16-28-23(26)19-13-11-14-20(17-19)24(27)29-22-15-9-8-12-21(22)18-25/h8-9,11-15,17-18H,2-7,10,16H2,1H3
InChIKey RAKKQCUXLMYGQH-UHFFFAOYSA-N
Molecular Weight 396.483 g/mol
SMILES C1=C(C(=CC=C1)C=O)OC(C1=CC(=CC=C1)C(OCCCCCCCCC)=O)=O